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1,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide

1,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide

Systemtic Name:1,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide
Openeye Name:1,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide
CAS Name:1,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide
IUPAC Name:1,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide
Traditional Name:1,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide
Formula: C25H32BrNO
MolecularWeight: 442.43168
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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C([N+]12CCCCCC2)C)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]


Isomeric SMILES

CC1CC(C(=O)C([N+]12CCCCCC2)C)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]


InChI

InChI=1S/C25H32NO.BrH/c1-20-19-25(22-13-7-5-8-14-22,23-15-9-6-10-16-23)24(27)21(2)26(20)17-11-3-4-12-18-26;/h5-10,13-16,20-21H,3-4,11-12,17-19H2,1-2H3;1H/q+1;/p-1


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